CS-1008057
Methyl 2-cyano-5-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Manufacturer: ChemScene
CAS Number: 2819707-76-9
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₈H₂₂BNO₄
Molecular Weight
327.18
Synonyms
None
SMILES
N#CC1=C(C=C(C=C1C(=O)OC)C2CC2)B3OC(C)(C)C(O3)(C)C
Tpsa
68.55
Logp
2.52148
H Acceptors
5
H Donors
0
Rotatable Bonds
3
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₂BNO₄
Molecular Weight: 327.18
Synonyms: None
SMILES: N#CC1=C(C=C(C=C1C(=O)OC)C2CC2)B3OC(C)(C)C(O3)(C)C
Tpsa: 68.55
Logp: 2.52148
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₂BNO₄
Molecular Weight:
327.18
Synonyms:
None
SMILES:
N#CC1=C(C=C(C=C1C(=O)OC)C2CC2)B3OC(C)(C)C(O3)(C)C
Tpsa:
68.55
Logp:
2.52148
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₆BrFN₂O
Molecular Weight: 257.06
Synonyms: None
SMILES: O=C1NC=2C(Br)=CC(F)=CC2N=C1C
Tpsa: 45.75
Logp: 2.13312
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₆BrFN₂O
Molecular Weight:
257.06
Synonyms:
None
SMILES:
O=C1NC=2C(Br)=CC(F)=CC2N=C1C
Tpsa:
45.75
Logp:
2.13312
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₇BF₃NO₄
Molecular Weight: 355.12
Synonyms: None
SMILES: N#CC1=C(C=C(C=C1C(=O)OC)C(F)(F)F)B2OC(C)(C)C(O2)(C)C
Tpsa: 68.55
Logp: 2.66288
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₇BF₃NO₄
Molecular Weight:
355.12
Synonyms:
None
SMILES:
N#CC1=C(C=C(C=C1C(=O)OC)C(F)(F)F)B2OC(C)(C)C(O2)(C)C
Tpsa:
68.55
Logp:
2.66288
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₃BrCl₂N₂
Molecular Weight: 277.93
Synonyms: None
SMILES: ClC1=NC2=C(Br)C=C(Cl)C=C2N=C1
Tpsa: 25.78
Logp: 3.6991
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₃BrCl₂N₂
Molecular Weight:
277.93
Synonyms:
None
SMILES:
ClC1=NC2=C(Br)C=C(Cl)C=C2N=C1
Tpsa:
25.78
Logp:
3.6991
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0